2,2,2-Trifluoroethyl Acetate
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Basic information
- CAS
406-95-1- Standard SMILES
CC(=O)OCC(F)(F)F- InChIKey
ZOWSJJBOQDKOHI-UHFFFAOYSA-N- Molecular formula
- C4H5F3O2
- Average molar mass
- 142.08 g/mol
- Monoisotopic mass
- 142.02416406
Names & identifiers
- Preferred name
- 2,2,2-Trifluoroethyl Acetate
- IUPAC
- 2,2,2-trifluoroethyl acetate
- English name
- 2,2,2-Trifluoroethyl acetate
- Molecular formula
- C4H5F3O2
- Molecular weight
- 142.08
Names & synonyms
2,2,2-trifluoroethyl acetatetrifluoroethyl acetateEthanol, 2,2,2-trifluoro-, acetateAcetic acid, 2,2,2-trifluoroethyl esterUNII-EN07RVL78UDTXSID60193609ETHANOL, 2,2,2-TRIFLUORO-, 1-ACETATERefChem:80804DTXCID50116100671-427-3FMDMKDPUFQNVSH-UHFFFAOYSA-N406-95-1
Show more names
2,2,2-Trifluoroethylacetate97%2,2,2-Trifluoroethyl acetate 97%2,2,2-Trifluoroethyl Acetate(TFEA)2,2,2-Trifluoroethyl ethanoate, Acetic acid 2,2,2-trifluoroethyl ester
2,2,2-TRIFLUOROETHYLACETATEMFCD00198018acetic acid 2,2,2-trifluoroethyl ester2,2,2-trifluoroethanol acetateEN07RVL78U2,2,2-Trifluoroethyl ethanoate2-Acetoxy-1,1,1-trifluoroethanetrifluoroethylacetate
Database identifiers
- CAS
406-95-1- PubChem CID
- 136256
- DTXSID
DTXSID60193609- UNII
- EN07RVL78U
- EC Number
- 671-427-3
- Nikkaji
- J370.998A
Properties
Computed structural propertiesFilling in
- XLogP
- 1.2
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 107
Experimental & physicochemical properties
SpringerMaterials PropertiesViscosity
Physicochemical properties
- Melting point
- -80.15 °C · <-80.15 °C
- Boiling point
- 78 °C · 78 °C
- Density
- 1 · 1,258 g/cm3
- refractive index
- 1.3202 · 1.3202
- Flash point
- 11 °C · 11°C
- storage temp.
- 2 · Storage temp. 2-8°C
- form
- clear liquid
- Specific Gravity
- 1.258 · 1.258
- color
- Colorless to Almost colorless
- Water Solubility
- Soluble in water (16 g/L) (25°C)
- BRN
- 1757502 · 1757502
- Henry's Law Constant
- 5.5 · 5.5×10-3 mol/(m3Pa) at 25℃, Burkholder et al. (2019)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]
P210, P233, P240, P241, P242, P243, P264, P264+P265, P280, P302+P352, P303+P361+P353, P305+P351+P338, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P235, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 8 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesFlam. Liq. 2 (100%)
Safety data
- ridadr
- 3272
- hs_code
- 2915390090
- risk_code
- 11
- Signal word
- Danger
- Symbol(GHS)
- GHS02
- hazard_code
- F
- hazard_note
- Flammable
- safety_code
- 16-23-24/25
- hazard_class
- 3
- packing_group
- III
- Hazard statements
- H225
- Limited Quantities
- 1.0 L (0.3 gallon) (liquid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml)
- REACH Registrations
- Active
Chemistry & industry
Applications
Uses2,2,2-Trifluoroethyl trifluoroacetate is used in the preparation of dimethyl (3,3,3-trifluoro-2,2-dihydroxypropyl)phosphonate
Related reactions
14 records
Compound notes
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